Found 1538 results

Search term: MF = 'C_{20}H_{13}N_{3}'
ChemSpider 2D Image | (2Z)-2-(1H-Indol-3-yl)-3-(5-isoquinolinyl)acrylonitrile | C20H13N3

(2Z)-2-(1H-Indol-3-yl)-3-(5-isoquinolinyl)acrylonitrile

  • Molecular FormulaC20H13N3
  • Average mass295.337 Da
  • Monoisotopic mass295.110962 Da
  • ChemSpider ID88296568

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-2-(1H-Indol-3-yl)-3-(5-isochinolinyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(1H-Indol-3-yl)-3-(5-isoquinoléinyl)acrylonitrile [French] [ACD/IUPAC Name]
(2Z)-2-(1H-Indol-3-yl)-3-(5-isoquinolinyl)acrylonitrile [ACD/IUPAC Name]
1H-Indole-3-acetonitrile, α-(5-isoquinolinylmethylene)-, (αZ)- [ACD/Index Name]
(2Z)-2-(1H-indol-3-yl)-3-(isoquinolin-5-yl)prop-2-enenitrile
(Z)-2-(1H-indol-3-yl)-3-isoquinolin-5-ylprop-2-enenitrile
2055405-95-1 [RN]
A131
PIP4K-IN-a131

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 562.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 168.7±13.9 °C
Index of Refraction: 1.784
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1225.16
ACD/KOC (pH 5.5): 5496.01
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1349.39
ACD/KOC (pH 7.4): 6053.29
Polar Surface Area: 52 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 225.7±3.0 cm3

Click to predict properties on the Chemicalize site


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